5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol

C13H20O2 — CID 70849409

IUPAC5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
SMILESCOC1C(O)C2CC1C1C3CCC(C3)C21
InChIInChI=1S/C13H20O2/c1-15-13-9-5-8(12(13)14)10-6-2-3-7(4-6)11(9)10/h6-14H,2-5H2,1H3
InChIKeyGJKXDIRGUMAOLH-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.67
Rot. Bonds1

About 5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol

5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol (PubChem CID 70849409) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol.

Molecular Properties

Compound Name5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
PubChem CID70849409
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
SMILESCOC1C(O)C2CC1C1C3CCC(C3)C21
InChIInChI=1S/C13H20O2/c1-15-13-9-5-8(12(13)14)10-6-2-3-7(4-6)11(9)10/h6-14H,2-5H2,1H3
InChIKeyGJKXDIRGUMAOLH-UHFFFAOYSA-N
XLogP1.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

(1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol
CID 10774199
tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol
CID 130146424
ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
CID 91554389
ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 91597819
dimethyl (1R,6R,8S)-pentacyclo[6.4.1.13,6.02,7.09,12]tetradecane-10,11-dicarboxylate
CID 163320232
(1S,2R,3R,5R,6S,8S,9S,11S,12R,13S)-pentacyclo[11.2.1.02,6.05,9.08,12]hexadecane-3,11-diol
CID 125035129
11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 123292612
3-cyclopropylbicyclo[2.2.1]heptan-2-ol
CID 123278941
(4R)-tricyclo[5.2.1.02,6]decane-3,4-diol
CID 166987336
(1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol
CID 124812816
tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)
CID 158145834
6,6-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
CID 123857656

Frequently Asked Questions

What is the IUPAC name of 5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol?
The IUPAC name of 5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol (CID 70849409) is 5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol.
What is the SMILES notation for 5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol?
The canonical SMILES for 5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol is COC1C(O)C2CC1C1C3CCC(C3)C21.
What is the InChIKey of 5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol?
The InChIKey is GJKXDIRGUMAOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-15-13-9-5-8(12(13)14)10-6-2-3-7(4-6)11(9)10/h6-14H,2-5H2,1H3.
What are the key properties of 5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol?
5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol has a molecular weight of 208.30 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol is sourced from PubChem (CID 70849409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).